U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeZr7O16 by Materials Project
Abstract
CeZr7O16 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.20–2.46 Å. There are five inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.46 Å. In the second Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.09–2.45 Å. In the third Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.08–2.52 Å. In the fourth Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.47 Å. In the fifth Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.45 Å. There are twelve inequivalent O2- sites. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-752983
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CeZr7O16; Ce-O-Zr
- OSTI Identifier:
- 1288880
- DOI:
- https://doi.org/10.17188/1288880
Citation Formats
The Materials Project. Materials Data on CeZr7O16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288880.
The Materials Project. Materials Data on CeZr7O16 by Materials Project. United States. doi:https://doi.org/10.17188/1288880
The Materials Project. 2020.
"Materials Data on CeZr7O16 by Materials Project". United States. doi:https://doi.org/10.17188/1288880. https://www.osti.gov/servlets/purl/1288880. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288880,
title = {Materials Data on CeZr7O16 by Materials Project},
author = {The Materials Project},
abstractNote = {CeZr7O16 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.20–2.46 Å. There are five inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.46 Å. In the second Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.09–2.45 Å. In the third Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.08–2.52 Å. In the fourth Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.47 Å. In the fifth Zr4+ site, Zr4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.10–2.45 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form a mixture of distorted corner and edge-sharing OCeZr3 tetrahedra. In the second O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form distorted OCeZr3 tetrahedra that share corners with twelve OZr4 tetrahedra and edges with five OCeZr3 tetrahedra. In the third O2- site, O2- is bonded to four Zr4+ atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the fourth O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form a mixture of distorted corner and edge-sharing OCeZr3 tetrahedra. In the fifth O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form a mixture of distorted corner and edge-sharing OCeZr3 tetrahedra. In the sixth O2- site, O2- is bonded to four Zr4+ atoms to form a mixture of distorted corner and edge-sharing OZr4 tetrahedra. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to four Zr4+ atoms. In the eighth O2- site, O2- is bonded to four Zr4+ atoms to form distorted OZr4 tetrahedra that share corners with fourteen OCeZr3 tetrahedra and edges with four OZr4 tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to four Zr4+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to four Zr4+ atoms. In the eleventh O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form a mixture of distorted corner and edge-sharing OCeZr3 tetrahedra. In the twelfth O2- site, O2- is bonded to one Ce4+ and three Zr4+ atoms to form distorted OCeZr3 tetrahedra that share corners with thirteen OCeZr3 tetrahedra and edges with five OZr4 tetrahedra.},
doi = {10.17188/1288880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}